N-(2,5-dimethylpyrazol-3-yl)-5-methyl-7-oxo-3-phenyl-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide

C20H17F3N6O2 — CID 138557507

IUPACN-(2,5-dimethylpyrazol-3-yl)-5-methyl-7-oxo-3-phenyl-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCc1cc(NC(=O)c2c(C)nc3c(-c4ccccc4)c(C(F)(F)F)[nH]n3c2=O)n(C)n1
InChIInChI=1S/C20H17F3N6O2/c1-10-9-13(28(3)26-10)25-18(30)14-11(2)24-17-15(12-7-5-4-6-8-12)16(20(21,22)23)27-29(17)19(14)31/h4-9,27H,1-3H3,(H,25,30)
InChIKeyNTQGWRCWZZVTOE-UHFFFAOYSA-N
MW430.39 g/mol
LogP3.31
Rot. Bonds3

About N-(2,5-dimethylpyrazol-3-yl)-5-methyl-7-oxo-3-phenyl-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide

N-(2,5-dimethylpyrazol-3-yl)-5-methyl-7-oxo-3-phenyl-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide (PubChem CID 138557507) has the molecular formula C20H17F3N6O2 and a molecular weight of 430.39 g/mol. Its IUPAC name is N-(2,5-dimethylpyrazol-3-yl)-5-methyl-7-oxo-3-phenyl-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-(2,5-dimethylpyrazol-3-yl)-5-methyl-7-oxo-3-phenyl-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide
PubChem CID138557507
Molecular FormulaC20H17F3N6O2
Molecular Weight430.39 g/mol
Exact Mass430.14
IUPAC NameN-(2,5-dimethylpyrazol-3-yl)-5-methyl-7-oxo-3-phenyl-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCc1cc(NC(=O)c2c(C)nc3c(-c4ccccc4)c(C(F)(F)F)[nH]n3c2=O)n(C)n1
InChIInChI=1S/C20H17F3N6O2/c1-10-9-13(28(3)26-10)25-18(30)14-11(2)24-17-15(12-7-5-4-6-8-12)16(20(21,22)23)27-29(17)19(14)31/h4-9,27H,1-3H3,(H,25,30)
InChIKeyNTQGWRCWZZVTOE-UHFFFAOYSA-N
XLogP3.31
TPSA97.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.39
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-methyl-N-(4-methylphenyl)-7-oxo-3-phenyl-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 138557400
N-(3,5-dimethoxyphenyl)-5-methyl-7-oxo-3-phenyl-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 138557456
5-methyl-N-(6-methylsulfonyl-3-pyridinyl)-7-oxo-3-phenyl-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 138557539
5-methyl-N-(oxan-4-yl)-7-oxo-3-phenyl-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 138557648
N-(4,5-didehydropyridin-2-ylsulfonyl)-5-methyl-7-oxo-3-phenyl-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 138573120
N-(6-chlorocyclohexa-1,5-dien-3-yn-1-yl)sulfonyl-5-methyl-7-oxo-3-phenyl-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 138573122
2-[5-methyl-7-oxo-3-phenyl-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-6-yl]acetic acid
CID 138472633
2-[5-methyl-7-oxo-3-phenyl-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-6-yl]-N-phenylacetamide
CID 138557558
N-[2-(dimethylamino)phenyl]-2,5-dimethyl-7-oxo-3-phenyl-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 160690336
2,5-dimethyl-7-oxo-3-phenyl-N-(2H-pyrrol-4-yl)-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 160698471
6-(3-chlorophenyl)-5-methyl-3-phenyl-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 138573089
2-[5-methyl-7-oxo-3-phenyl-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-6-yl]-N-pyridin-4-ylacetamide
CID 138557396

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylpyrazol-3-yl)-5-methyl-7-oxo-3-phenyl-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide?
The IUPAC name of N-(2,5-dimethylpyrazol-3-yl)-5-methyl-7-oxo-3-phenyl-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide (CID 138557507) is N-(2,5-dimethylpyrazol-3-yl)-5-methyl-7-oxo-3-phenyl-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide.
What is the SMILES notation for N-(2,5-dimethylpyrazol-3-yl)-5-methyl-7-oxo-3-phenyl-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide?
The canonical SMILES for N-(2,5-dimethylpyrazol-3-yl)-5-methyl-7-oxo-3-phenyl-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide is Cc1cc(NC(=O)c2c(C)nc3c(-c4ccccc4)c(C(F)(F)F)[nH]n3c2=O)n(C)n1.
What is the InChIKey of N-(2,5-dimethylpyrazol-3-yl)-5-methyl-7-oxo-3-phenyl-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide?
The InChIKey is NTQGWRCWZZVTOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F3N6O2/c1-10-9-13(28(3)26-10)25-18(30)14-11(2)24-17-15(12-7-5-4-6-8-12)16(20(21,22)23)27-29(17)19(14)31/h4-9,27H,1-3H3,(H,25,30).
What are the key properties of N-(2,5-dimethylpyrazol-3-yl)-5-methyl-7-oxo-3-phenyl-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide?
N-(2,5-dimethylpyrazol-3-yl)-5-methyl-7-oxo-3-phenyl-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide has a molecular weight of 430.39 g/mol, XLogP of 3.31, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylpyrazol-3-yl)-5-methyl-7-oxo-3-phenyl-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 138557507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).